(Z)-(4-isoquinolin-2-ium-2-yl-2-oxidanylidene-1,3-thiazol-5-ylidene)methanolate

Systemtic Name: (Z)-(4-isoquinolin-2-ium-2-yl-2-oxidanylidene-1,3-thiazol-5-ylidene)methanolate Openeye Name: (Z)-(4-isoquinolin-2-ium-2-yl-2-oxo-thiazol-5-ylidene)methanolate CAS Name: (Z)-[4-(2-isoquinolin-2-iumyl)-2-oxo-5-thiazolylidene]methanolate IUPAC Name: (Z)-(4-isoquinolin-2-ium-2-yl-2-oxo-1,3-thiazol-5-ylidene)methanolate Traditional Name: (Z)-(4-isoquinolin-2-ium-2-yl-2-keto-3-thiazolin-5-ylidene)methanolate Formula: C13H8N2O2S MolecularWeight: 256.27982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)C3=NC(=O)SC3=C[O-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)C\3=NC(=O)S/C3=C\[O-]

InChI

InChI=1S/C13H8N2O2S/c16-8-11-12(14-13(17)18-11)15-6-5-9-3-1-2-4-10(9)7-15/h1-8H